Molecule FYI-1008850

Home > Molecule

A

Molecule Summary:

ID: FYI-1008850
Names:
InChIKey: JPZOAVGMSDSWSW-UHFFFAOYSA-N
SMILES: Nc1nc(Cl)cc(Cl)n1

Received at FYIcenter.com on: 2024-04-28

Molecule ID: FYI-1008850 Edit

Molecule Structure InChIKey: JPZOAVGMSDSWSW-UHFFFAOYSA-N

Molecule Structure SMILES String: Nc1nc(Cl)cc(Cl)n1

Download SDF Download SVG Structure in 2D SDF:

FYI-1008850
FYIcenter.com

  9  9  0  0  0  0  0  0  0  0999 V2000
    4.8497    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  4  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  7  2  0  0  0  0
  9  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008850-3D
FYIcenter.com

 12 12  0     0  0  0  0  0  0999 V2000
    2.7024    1.4042   -0.0002 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.7024    1.4041   -0.0005 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2049   -0.7105   -0.0002 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2049   -0.7108    0.0001 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0003   -2.7239    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.3121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3729    0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1678    0.6382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1680    0.6379    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0001    2.4563    0.0005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8796   -3.2211    0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8803   -3.2207    0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  2  9  1  0  0  0  0
  3  6  1  0  0  0  0
  3  8  2  0  0  0  0
  4  6  2  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-04-29, 125👍, 0💬